4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-hydroxy-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-hydroxycyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(butylamino)-6-[1-(dimethylamino)ethyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate Formula: C15H25N2O3- MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(C(C=C1)C(=O)[O-])(C(C)N(C)C)O

Isomeric SMILES

CCCCNC1=CC(C(C=C1)C(=O)[O-])(C(C)N(C)C)O

InChI

InChI=1S/C15H26N2O3/c1-5-6-9-16-12-7-8-13(14(18)19)15(20,10-12)11(2)17(3)4/h7-8,10-11,13,16,20H,5-6,9H2,1-4H3,(H,18,19)/p-1